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Magnesium in PDB 4woe: The Duplicated Taurocyamine Kinase From Schistosoma Mansoni with Bound Transition State Analog (Tsa) Components

Enzymatic activity of The Duplicated Taurocyamine Kinase From Schistosoma Mansoni with Bound Transition State Analog (Tsa) Components

All present enzymatic activity of The Duplicated Taurocyamine Kinase From Schistosoma Mansoni with Bound Transition State Analog (Tsa) Components:
2.7.3.4;

Protein crystallography data

The structure of The Duplicated Taurocyamine Kinase From Schistosoma Mansoni with Bound Transition State Analog (Tsa) Components, PDB code: 4woe was solved by R.Merceron, A.Awama, R.Montserret, O.Marcillat, P.Gouet, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.74 / 2.30
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 107.695, 122.220, 63.060, 90.00, 108.06, 90.00
R / Rfree (%) 18.6 / 25.6

Magnesium Binding Sites:

The binding sites of Magnesium atom in the The Duplicated Taurocyamine Kinase From Schistosoma Mansoni with Bound Transition State Analog (Tsa) Components (pdb code 4woe). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the The Duplicated Taurocyamine Kinase From Schistosoma Mansoni with Bound Transition State Analog (Tsa) Components, PDB code: 4woe:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in 4woe

Go back to Magnesium Binding Sites List in 4woe
Magnesium binding site 1 out of 3 in the The Duplicated Taurocyamine Kinase From Schistosoma Mansoni with Bound Transition State Analog (Tsa) Components


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The Duplicated Taurocyamine Kinase From Schistosoma Mansoni with Bound Transition State Analog (Tsa) Components within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg805

b:43.8
occ:1.00
 O A:HOH1209 2.3 24.4 1.0
O2B A:ADP802 2.3 31.7 1.0
O2A A:ADP802 2.3 30.2 1.0
O1 A:NO3808 3.1 27.6 1.0
O A:HOH1147 3.6 32.4 1.0
OE1 A:GLU584 3.6 26.5 1.0
PA A:ADP802 3.7 32.5 1.0
PB A:ADP802 3.8 30.5 1.0
OE2 A:GLU584 4.0 26.5 1.0
N A:NO3808 4.0 34.4 1.0
O2 A:NO3808 4.1 30.8 1.0
OE1 A:GLU585 4.2 22.5 1.0
O3A A:ADP802 4.2 33.8 1.0
NH1 A:ARG589 4.2 24.6 1.0
CD A:GLU584 4.2 23.5 1.0
CZ3 A:TRP581 4.2 28.7 1.0
O5' A:ADP802 4.3 35.6 1.0
OE2 A:GLU674 4.5 33.0 1.0
N03 A:3S5804 4.6 22.1 1.0
O1B A:ADP802 4.6 39.4 1.0
C5' A:ADP802 4.6 30.4 1.0
O3B A:ADP802 4.8 36.0 1.0
CH2 A:TRP581 4.8 26.9 1.0
O1A A:ADP802 5.0 36.3 1.0

Magnesium binding site 2 out of 3 in 4woe

Go back to Magnesium Binding Sites List in 4woe
Magnesium binding site 2 out of 3 in the The Duplicated Taurocyamine Kinase From Schistosoma Mansoni with Bound Transition State Analog (Tsa) Components


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of The Duplicated Taurocyamine Kinase From Schistosoma Mansoni with Bound Transition State Analog (Tsa) Components within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg806

b:38.7
occ:1.00
 O1A A:ADP801 2.3 26.1 1.0
O3 A:NO3807 2.3 46.0 1.0
O1B A:ADP801 2.4 31.4 1.0
N A:NO3807 3.2 46.7 1.0
O2B A:ADP801 3.2 28.9 1.0
PB A:ADP801 3.2 26.0 1.0
PA A:ADP801 3.5 21.2 1.0
OE1 A:GLU222 3.5 39.8 1.0
O2 A:NO3807 3.6 36.9 1.0
O3A A:ADP801 3.8 23.4 1.0
O1 A:NO3807 4.1 34.8 1.0
O A:HOH1173 4.4 37.7 1.0
NH2 A:ARG226 4.4 22.0 1.0
O2A A:ADP801 4.4 26.5 1.0
O A:HOH1142 4.5 27.5 1.0
CD A:GLU222 4.6 41.4 1.0
O5' A:ADP801 4.6 26.5 1.0
O3B A:ADP801 4.7 22.2 1.0
NH1 A:ARG305 4.8 24.8 1.0
C5' A:ADP801 4.8 26.1 1.0

Magnesium binding site 3 out of 3 in 4woe

Go back to Magnesium Binding Sites List in 4woe
Magnesium binding site 3 out of 3 in the The Duplicated Taurocyamine Kinase From Schistosoma Mansoni with Bound Transition State Analog (Tsa) Components


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of The Duplicated Taurocyamine Kinase From Schistosoma Mansoni with Bound Transition State Analog (Tsa) Components within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg805

b:42.0
occ:1.00
 O1A B:ADP801 2.7 37.0 1.0
O B:HOH1267 2.8 32.4 1.0
O1B B:ADP801 2.9 33.6 1.0
OE1 B:GLU222 3.2 46.8 1.0
O2B B:ADP801 3.8 41.9 1.0
PB B:ADP801 3.8 40.6 1.0
PA B:ADP801 4.0 38.0 1.0
CD B:GLU222 4.1 48.0 1.0
OE2 B:GLU222 4.3 51.1 1.0
NH2 B:ARG226 4.3 30.9 1.0
O3A B:ADP801 4.4 41.3 1.0
N01 B:3S5803 4.4 48.0 1.0
N03 B:3S5803 4.5 46.0 1.0
NH1 B:ARG123 4.7 28.7 1.0
C02 B:3S5803 4.9 51.2 1.0
O2A B:ADP801 4.9 43.4 1.0

Reference:

R.Merceron, A.M.Awama, R.Montserret, O.Marcillat, P.Gouet. The Substrate-Free and -Bound Crystal Structures of the Duplicated Taurocyamine Kinase From the Human Parasite Schistosoma Mansoni. J.Biol.Chem. V. 290 12951 2015.
ISSN: ESSN 1083-351X
PubMed: 25837252
DOI: 10.1074/JBC.M114.628909
Page generated: Mon Dec 14 19:42:32 2020

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